N-(2-methylpentan-3-yl)-1-prop-2-enylimidazol-2-amine

C12H21N3 — CID 106564882

IUPACN-(2-methylpentan-3-yl)-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1ccnc1NC(CC)C(C)C
InChIInChI=1S/C12H21N3/c1-5-8-15-9-7-13-12(15)14-11(6-2)10(3)4/h5,7,9-11H,1,6,8H2,2-4H3,(H,13,14)
InChIKeyUXFIRTHQFNOJSK-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.92
Rot. Bonds6

About N-(2-methylpentan-3-yl)-1-prop-2-enylimidazol-2-amine

N-(2-methylpentan-3-yl)-1-prop-2-enylimidazol-2-amine (PubChem CID 106564882) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-(2-methylpentan-3-yl)-1-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound NameN-(2-methylpentan-3-yl)-1-prop-2-enylimidazol-2-amine
PubChem CID106564882
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-(2-methylpentan-3-yl)-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1ccnc1NC(CC)C(C)C
InChIInChI=1S/C12H21N3/c1-5-8-15-9-7-13-12(15)14-11(6-2)10(3)4/h5,7,9-11H,1,6,8H2,2-4H3,(H,13,14)
InChIKeyUXFIRTHQFNOJSK-UHFFFAOYSA-N
XLogP2.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylbutyl)-1-prop-2-enylimidazol-2-amine
CID 106570341
1-prop-2-enyl-N-(1-pyridin-4-ylethyl)imidazol-2-amine
CID 106562002
1-prop-2-enyl-N-(1-thiophen-3-ylpropan-2-yl)imidazol-2-amine
CID 106567886
N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-prop-2-enylimidazol-2-amine
CID 106576833
1-(2,3-dimethylbutyl)-N-prop-2-enylimidazol-2-amine
CID 106575242
N-(1-prop-2-enylimidazol-2-yl)-1-propylpiperidin-4-amine
CID 106568405
N-(4-iodophenyl)-1-prop-2-enylimidazol-2-amine
CID 106554163
N-[4-[(1-prop-2-enylimidazol-2-yl)amino]phenyl]acetamide
CID 106554496
1,3-dimethyl-N-(1-prop-2-enylimidazol-2-yl)pyrazol-4-amine
CID 106583191
N-(3-methylsulfinylpropyl)-1-prop-2-enylimidazol-2-amine
CID 106580517
N-(2,6-dibromophenyl)-1-prop-2-enylimidazol-2-amine
CID 107605118
1-prop-2-enyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine
CID 106570738

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpentan-3-yl)-1-prop-2-enylimidazol-2-amine?
The IUPAC name of N-(2-methylpentan-3-yl)-1-prop-2-enylimidazol-2-amine (CID 106564882) is N-(2-methylpentan-3-yl)-1-prop-2-enylimidazol-2-amine.
What is the SMILES notation for N-(2-methylpentan-3-yl)-1-prop-2-enylimidazol-2-amine?
The canonical SMILES for N-(2-methylpentan-3-yl)-1-prop-2-enylimidazol-2-amine is C=CCn1ccnc1NC(CC)C(C)C.
What is the InChIKey of N-(2-methylpentan-3-yl)-1-prop-2-enylimidazol-2-amine?
The InChIKey is UXFIRTHQFNOJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-8-15-9-7-13-12(15)14-11(6-2)10(3)4/h5,7,9-11H,1,6,8H2,2-4H3,(H,13,14).
What are the key properties of N-(2-methylpentan-3-yl)-1-prop-2-enylimidazol-2-amine?
N-(2-methylpentan-3-yl)-1-prop-2-enylimidazol-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpentan-3-yl)-1-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106564882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).